N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

C22H20N2O3 — CID 5195318

IUPACN'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H20N2O3/c1-16-6-4-10-19(14-16)27-15-22(26)24-23-21(25)13-12-18-9-5-8-17-7-2-3-11-20(17)18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyCXEFQBRWMYXMOJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.39
Rot. Bonds5

About N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide (PubChem CID 5195318) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
PubChem CID5195318
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H20N2O3/c1-16-6-4-10-19(14-16)27-15-22(26)24-23-21(25)13-12-18-9-5-8-17-7-2-3-11-20(17)18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyCXEFQBRWMYXMOJ-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4503690
(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
CID 26901654
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
ethyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233974
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
propyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233056
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
(E)-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6129417
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide (CID 5195318) is N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is Cc1cccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The InChIKey is CXEFQBRWMYXMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-6-4-10-19(14-16)27-15-22(26)24-23-21(25)13-12-18-9-5-8-17-7-2-3-11-20(17)18/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide has a molecular weight of 360.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is sourced from PubChem (CID 5195318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).